N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine

C14H18N2OS — CID 78978381

IUPACN-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CCC(C)Nc2nccs2)cc1
InChIInChI=1S/C14H18N2OS/c1-11(16-14-15-9-10-18-14)3-4-12-5-7-13(17-2)8-6-12/h5-11H,3-4H2,1-2H3,(H,15,16)
InChIKeyIQNUBTLYGIXLAT-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.58
Rot. Bonds6

About N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine

N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine (PubChem CID 78978381) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine
PubChem CID78978381
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CCC(C)Nc2nccs2)cc1
InChIInChI=1S/C14H18N2OS/c1-11(16-14-15-9-10-18-14)3-4-12-5-7-13(17-2)8-6-12/h5-11H,3-4H2,1-2H3,(H,15,16)
InChIKeyIQNUBTLYGIXLAT-UHFFFAOYSA-N
XLogP3.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine
CID 79046617
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82102654
N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 43079498
N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine
CID 61166762
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81394593
2,6-dibromo-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107597022
3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43760298
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181
4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine (CID 78978381) is N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine is COc1ccc(CCC(C)Nc2nccs2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine?
The InChIKey is IQNUBTLYGIXLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(16-14-15-9-10-18-14)3-4-12-5-7-13(17-2)8-6-12/h5-11H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine?
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 78978381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).